TMU

N-(4-METHOXYBENZYL)-N'-(5-NITRO-1,3-THIAZOL-2-YL)UREA

Created:	2003-08-12
Last modified:	2011-06-04

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1 entries where TMU is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	33
Chiral Atom Count	0
Bond Count	34
Aromatic Bond Count	11

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Chemical Component Summary
Name	N-(4-METHOXYBENZYL)-N'-(5-NITRO-1,3-THIAZOL-2-YL)UREA
Systematic Name (OpenEye OEToolkits)	3-[(4-methoxyphenyl)methyl]-1-(5-nitro-1,3-thiazol-2-yl)urea
Formula	C₁₂ H₁₂ N₄ O₄ S
Molecular Weight	308.313
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(Nc1ncc(s1)[N+]([O-])=O)NCc2ccc(OC)cc2
SMILES	CACTVS	3.341	COc1ccc(CNC(=O)Nc2sc(cn2)[N+]([O-])=O)cc1
SMILES	OpenEye OEToolkits	1.5.0	COc1ccc(cc1)CNC(=O)Nc2ncc(s2)[N+](=O)[O-]
Canonical SMILES	CACTVS	3.341	COc1ccc(CNC(=O)Nc2sc(cn2)[N+]([O-])=O)cc1
Canonical SMILES	OpenEye OEToolkits	1.5.0	COc1ccc(cc1)CNC(=O)Nc2ncc(s2)[N+](=O)[O-]
InChI	InChI	1.03	InChI=1S/C12H12N4O4S/c1-20-9-4-2-8(3-5-9)6-13-11(17)15-12-14-7-10(21-12)16(18)19/h2-5,7H,6H2,1H3,(H2,13,14,15,17)
InChIKey	InChI	1.03	YAEMHJKFIIIULI-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB01950
Name	AR-AO-14418
Groups	experimental
Synonyms	AR-AO-14418
Categories	Amides Glycogen Synthase Kinase 3, antagonists & inhibitors Sulfur Compounds
CAS number	487021-52-3

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Glycogen synthase kinase-3 beta	MSGRPRTTSFAESCKPVQQPSAFGSMKVSRDKDGSKVTTVVATPGQGPDR...	unknown

Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682